SCHEMBL233348

SCHEMBL233348

Cc1cccc(C)c1OCC#Cc1cccc([C@H](O)CCN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.41
MMP9 P14780 7/20 0.41
KMT2A Q03164 6/20 0.40
MEN1 O00255 2/20 0.40
MMP3 P08254 1/20 0.39
MMP13 P45452 1/20 0.39
HPGD P15428 4/20 0.39
RAB9A P51151 2/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 1/20 0.39
ADAM10 O14672 2/20 0.38
MMP1 P03956 2/20 0.38
MMP14 P50281 2/20 0.38
ADAM17 P78536 2/20 0.38
NPSR1 Q6W5P4 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL233349 1.00 MMP2 (0.41) MMP2MMP9KMT2AMEN1MMP3
SCHEMBL2754739 0.88 MMP2 (0.47) MMP2MMP9KMT2AMMP3MMP13
SCHEMBL236383 0.82 MMP2 (0.41) MMP2MMP9KMT2AMEN1MMP3
SCHEMBL236384 0.82 MMP2 (0.41) MMP2MMP9KMT2AMEN1MMP3
SCHEMBL16451655 0.81 NPC1 (0.37) KMT2ARAB9ATSHRNPC1LMNA
SCHEMBL233167 0.80 TSHR (0.39) RAB9ATSHRNPC1LMNA
SCHEMBL236779 0.79 KMT2A (0.43) KMT2AMEN1HPGDRAB9ATSHR
SCHEMBL17735454 0.75 KMT2A (0.52) MMP2MMP9KMT2AMEN1MMP3
SCHEMBL3199271 0.73 GRM5 (0.49) MMP2MMP9KMT2AMMP3MMP13
SCHEMBL13324052 0.71 ALDH1A1 (0.48) RAB9ATSHRNPSR1ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9464033-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-10-11 US disclosed
US-20150329473-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2015-11-19 US disclosed
US-9115056-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-08-25 US disclosed
US-20150045444-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2015-02-12 US disclosed
US-8895782-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-11-25 US disclosed
US-20140213617-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-07-31 US disclosed
US-8766007-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC (US) 2014-07-01 US disclosed
US-8492589-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2013-07-23 US disclosed
US-8389771-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. (US) 2013-03-05 US disclosed
US-20130030026-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2013-01-31 US disclosed
US-20130018077-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2013-01-17 US disclosed
US-8299307-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2012-10-30 US disclosed
US-20120004269-A1 Alkynyl Phenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA INC. (US) 2012-01-05 US disclosed
US-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. 2009-03-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130018077-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C MMP2 2643/4885MMP9 1163/4885KMT2A 3829/4885
US-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders PDE6D, STARD3, PDE6C MMP2 2643/4885MMP9 1163/4885KMT2A 3829/4885
US-20130030026-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C MMP2 2643/4885MMP9 1163/4885KMT2A 3829/4885
US-20150045444-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C MMP2 2643/4885MMP9 1163/4885KMT2A 3829/4885
US-20120004269-A1 Alkynyl Phenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, STARD3, PDE6C MMP2 2643/4885MMP9 1163/4885KMT2A 3829/4885
US-20150329473-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C MMP2 2643/4885MMP9 1163/4885KMT2A 3829/4885
US-20140213617-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C MMP2 2643/4885MMP9 1163/4885KMT2A 3829/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.